Information card for entry 2241319

Structure parameters

• Chemical name: 4-[(<i>E</i>)-(4-Hydroxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one
• Formula: C18 H17 N3 O2
• Calculated formula: C18 H17 N3 O2
• SMILES: Oc1ccc(cc1)/C=N/C1C(=O)N(N(C=1C)C)c1ccccc1
• Title of publication: Crystal structure of 4-[(<i>E</i>)-(4-hydroxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one
• Authors of publication: Mague, Joel T.; Akkurt, Mehmet; Mohamed, Shaaban K.; Mohamed, Alaa F.; Albayati, Mustafa R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 12
• Pages of publication: o947 - o948
• a: 8.1214 ± 0.0007 Å
• b: 12.5405 ± 0.001 Å
• c: 23.1875 ± 0.0019 Å
• α: 91.121 ± 0.001°
• β: 90.199 ± 0.001°
• γ: 90.748 ± 0.001°
• Cell volume: 2360.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1148
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes